Ta6Re5Ru
Alexandria ALEXAlex-ID: agm066541663 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Ta6Re5Ru
2025-01-01 04:38:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066541663).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm066541663
data_agm066541663
_cell_length_a 7.15189
_cell_length_b 7.15189
_cell_length_c 6.39583
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.18032
_cell_volume 196.05690
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ta1 Ta 0.66734 0.33266 0.74952 1.00000
Ta2 Ta 0.66734 0.33266 0.25048 1.00000
Ta3 Ta 0.00000 0.00000 0.25174 1.00000
Ta4 Ta 0.00000 0.00000 0.74826 1.00000
Ta5 Ta 0.33266 0.66734 0.74952 1.00000
Ta6 Ta 0.33266 0.66734 0.25048 1.00000
Re1 Re 0.83345 0.16655 0.50000 1.00000
Re2 Re 0.16567 0.83433 0.00000 1.00000
Re3 Re 0.50000 0.50000 0.50000 1.00000
Re4 Re 0.83433 0.16567 0.00000 1.00000
Re5 Re 0.16655 0.83345 0.50000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
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